5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C18H28N4O2 — CID 126941259

IUPAC5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCC(=O)N3)CC2)c(=O)c1C
InChIInChI=1S/C18H28N4O2/c1-13-14(2)19-12-22(18(13)24)10-15-6-8-21(9-7-15)11-16-4-3-5-17(23)20-16/h12,15-16H,3-11H2,1-2H3,(H,20,23)
InChIKeyPWEGQCBUGAIXDK-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.24
Rot. Bonds4

About 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941259) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941259
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCC(=O)N3)CC2)c(=O)c1C
InChIInChI=1S/C18H28N4O2/c1-13-14(2)19-12-22(18(13)24)10-15-6-8-21(9-7-15)11-16-4-3-5-17(23)20-16/h12,15-16H,3-11H2,1-2H3,(H,20,23)
InChIKeyPWEGQCBUGAIXDK-UHFFFAOYSA-N
XLogP1.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 136217050
CID 136217050
CID 126943549
CID 126943549
CID 126943550
CID 126943550
CID 126943991
CID 126943991
CID 126940794
CID 126940794
CID 126940795
CID 126940795
CID 126940912
CID 126940912
CID 126941186
CID 126941186
CID 126941256
CID 126941256
CID 126941258
CID 126941258
CID 126941378
CID 126941378
CID 126941384
CID 126941384

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941259) is 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(CC3CCCC(=O)N3)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is PWEGQCBUGAIXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-14(2)19-12-22(18(13)24)10-15-6-8-21(9-7-15)11-16-4-3-5-17(23)20-16/h12,15-16H,3-11H2,1-2H3,(H,20,23).
What are the key properties of 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).